Chemical ID: 6580555

c1cc(cc(c1)[N+](=O)[O-])CSc2nnc(n2c3ccc(cc3)SC(F)F)c4cccnc4
Chemical ID:
6580555
Name [?]:
3-[4-[4-(difluoromethylsulfanyl)phenyl]-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])CSc2nnc(n2c3ccc(cc3)SC(F)F)c4cccnc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H15F2N5O2S2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:7.56491
Area:669.159
Solvation:-9.16407
Coulombic:-41.1411
Bond Count [?]
All:35
Single:23
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:471.505
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.81
LogP (Chemaxon):5.78

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue